UCSF

ZINC48893329

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.61 6.44 -37.27 2 4 1 42 269.8 4
Hi High (pH 8-9.5) 2.61 4.01 -4.04 1 4 0 41 268.792 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )